- InChI
- InChI=1S/C22H30O4/c1-17(2)9-8-15-25-21(23)19-12-6-7-13-20(19)22(24)26-16-14-18-10-4-3-5-11-18/h3-7,10-11,17,19-20H,8-9,12-16H2,1-2H3
- InChI Key
- ZRYNUTOQDUMPTO-UHFFFAOYSA-N
- Formula
- C22H30O4
- SMILES
-
CC(C)CCCOC(=O)C1CC=CCC1C(=O)OC
Cc1ccccc1 - Molecular Weight1
- 358.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -176.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 4.334 | Crippen Calculated Property | |
| McVol | 296.800 | ml/mol | McGowan Calculated Property |
| Pc | 1380.93 | kPa | Joback Calculated Property |
| Inp | 2568.00 | NIST | |
| Tboil | 895.62 | K | Joback Calculated Property |
| Tc | 1115.41 | K | Joback Calculated Property |
| Tfus | 497.34 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.31; 1045.74] | J/mol×K | [895.62; 1115.41] | 
|
| Cp,gas | 968.31 | J/mol×K | 895.62 | Joback Calculated Property |
| Cp,gas | 985.03 | J/mol×K | 932.25 | Joback Calculated Property |
| Cp,gas | 1000.16 | J/mol×K | 968.88 | Joback Calculated Property |
| Cp,gas | 1013.77 | J/mol×K | 1005.51 | Joback Calculated Property |
| Cp,gas | 1025.87 | J/mol×K | 1042.15 | Joback Calculated Property |
| Cp,gas | 1036.51 | J/mol×K | 1078.78 | Joback Calculated Property |
| Cp,gas | 1045.74 | J/mol×K | 1115.41 | Joback Calculated Property |
| η | [0.0000545; 0.0007761] | Pa×s | [497.34; 895.62] |
|
| η | 0.0007761 | Pa×s | 497.34 | Joback Calculated Property |
| η | 0.0003841 | Pa×s | 563.72 | Joback Calculated Property |
| η | 0.0002205 | Pa×s | 630.10 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 696.48 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 762.86 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 829.24 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 895.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl phenethyl ester.
Sources
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